⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12670017 | 0.88 | — | — | |
| SCHEMBL1871785 | 0.78 | — | — | |
| SCHEMBL23648172 | 0.77 | — | — | |
| SCHEMBL2399001 | 0.74 | — | — | |
| SCHEMBL28073730 | 0.74 | — | — | |
| SCHEMBL11610955 | 0.74 | KMT2A (0.34) | — | |
| SCHEMBL14895656 | 0.74 | — | — | |
| SCHEMBL11666409 | 0.74 | — | — | |
| SCHEMBL8519521 | 0.72 | — | — | |
| SCHEMBL27914325 | 0.72 | POLB (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4361702-A | FROM PYRUVALDEHYDE ACETAL AND ACETONITRILE | ALBERTA RESEARCH COUNCIL (CA) | 1982-11-30 | — | — | US | claimed |
| US-20210230178-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2021-07-29 | — | — | US | disclosed |
| WO-2019036537-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2019-02-21 | — | — | WO | disclosed |
| US-8334342-B2 | Glyoxal and methylglyoxal as additive for polymer blends | BASF SE (DE) | 2012-12-18 | — | — | US | disclosed |
| US-8334342-B2 | Glyoxal and methylglyoxal as additive for polymer blends | BASF SE (DE) | 2012-12-18 | — | — | US | disclosed |
| US-20110124807-A1 | GLYOXAL AND METHYLGLYOXAL AS ADDITIVE FOR POLYMER BLENDS | BASF SE (DE) | 2011-05-26 | — | — | US | disclosed |
| US-20110124807-A1 | GLYOXAL AND METHYLGLYOXAL AS ADDITIVE FOR POLYMER BLENDS | BASF SE (DE) | 2011-05-26 | — | — | US | disclosed |
| WO-2009153275-A1 | GLYOXAL AND METHYLGLYOXAL AS ADDITIVES FOR POLYMER BLENDS | BASF SE (DE) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009080748-A1 | GLYOXAL DERIVATIVES AS BINDING AGENTS AND CROSS-LINKING AGENT | BASF SE (DE) | 2009-07-02 | — | — | WO | disclosed |
| EP-1187798-B8 | PRODUCTION OF OPTICALLY ACTIVE ALPHA-HYDROXYACETALS | SOLVIAS AG (CH) | 2006-10-25 | — | — | EP | disclosed |
| EP-1187798-B1 | PRODUCTION OF OPTICALLY ACTIVE $g(a)-HYDROXYACETALS | SOLVIAS AG (CH) | 2006-06-14 | — | — | EP | disclosed |
| US-6660890-B1 | Heterogeneous and enantioselective hydrogenation of prochiral alpha -ketoacetals with platinum as the catalyst and in the presence of a chiral aromatic nitrogen base | SOLVIAS AG (CH) | 2003-12-09 | — | — | US | disclosed |
| EP-1187798-A1 | PRODUCTION OF OPTICALLY ACTIVE $g(a)-HYDROXYACETALS | Solvias AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2001000545-A1 | PRODUCTION OF OPTICALLY ACTIVE α-HYDROXYACETALS | SOLVIAS AG (CH) | 2001-01-04 | — | — | WO | disclosed |
| WO-1992015544-A1 | METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL AND DERIVATIVES THEREOF | LOYOLA UNIVERSITY OF CHICAGO (US) | 1992-09-17 | — | — | WO | disclosed |
| US-5107030-A | Method of making 2,7-dimethyl-2,4,6-octatrienedial and derivatives thereof | LOYOLA UNIVERSITY OF CHICAGO (US) | 1992-04-21 | — | — | US | disclosed |
| US-4374069-A | Process for the preparation of trans-3-formylbut-2-enenitrile | ALBERTA RESEARCH COUNCIL (CA) | 1983-02-15 | — | — | US | disclosed |
| US-4361702-A | FROM PYRUVALDEHYDE ACETAL AND ACETONITRILE | ALBERTA RESEARCH COUNCIL (CA) | 1982-11-30 | — | — | US | disclosed |